4BLG
 
 | | Crystal structure of MHV-68 Latency-associated nuclear antigen (LANA) C-terminal DNA binding domain | | Descriptor: | LATENCY-ASSOCIATED NUCLEAR ANTIGEN, PHOSPHATE ION | | Authors: | Correia, B, Cerqueira, S.A, Beauchemin, C, Pires De Miranda, M, Li, S, Ponnusamy, R, Rodrigues, L, Schneider, T.R, Carrondo, M.A, Kaye, K.M, Simas, J.P, McVey, C.E. | | Deposit date: | 2013-05-02 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Gamma-2 Herpesvirus Lana DNA Binding Domain Identifies Charged Surface Residues which Impact Viral Latency
Plos Pathog., 9, 2013
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3LFE
 | | Human p38 MAP Kinase in Complex with RL116 | | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2010-01-16 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
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3LFB
 | | Human p38 MAP Kinase in Complex with RL98 | | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2010-01-16 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
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3LFA
 | | Human p38 MAP Kinase in Complex with Dasatinib | | Descriptor: | Mitogen-activated protein kinase 14, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2010-01-16 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
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4DLI
 | | Human p38 MAP kinase in complex with RL87 | | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | | Authors: | Gruetter, C, Getlik, M, Simard, J.R, Rauh, D. | | Deposit date: | 2012-02-06 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase.
Plos One, 7, 2012
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3PG3
 | | Human p38 MAP Kinase in Complex with RL182 | | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design and synthesis of cell active N-pyrazole, N-thiazole urea inhibitors of the MAP kinase p38alpha
To be Published
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2B1W
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2GMO
 | | NMR-structure of an independently folded C-terminal domain of influenza polymerase subunit PB2 | | Descriptor: | Polymerase basic protein 2 | | Authors: | Boudet, J, Tarendeau, F, Guilligay, D, Mas, P, Bougault, C.M, Cusack, S, Simorre, J.-P, Hart, D.J. | | Deposit date: | 2006-04-07 | | Release date: | 2007-02-27 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure and nuclear import function of the C-terminal domain of influenza virus polymerase PB2 subunit.
Nat.Struct.Mol.Biol., 14, 2007
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1K30
 | | Crystal Structure Analysis of Squash (Cucurbita moschata) glycerol-3-phosphate (1)-acyltransferase | | Descriptor: | glycerol-3-phosphate acyltransferase | | Authors: | Turnbull, A.P, Rafferty, J.B, Sedelnikova, S.E, Slabas, A.R, Schierer, T.P, Kroon, J.T, Simon, J.W, Fawcett, T, Nishida, I, Murata, N, Rice, D.W. | | Deposit date: | 2001-10-01 | | Release date: | 2001-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Analysis of the structure, substrate specificity, and mechanism of squash glycerol-3-phosphate (1)-acyltransferase.
Structure, 9, 2001
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2P7C
 | | Solution structure of the bacillus licheniformis BlaI monomeric form in complex with the blaP half-operator. | | Descriptor: | Penicillinase repressor, Strand 1 of Twelve base-pair DNA, Strand 2 of Twelve base-pair DNA | | Authors: | Boudet, J, Duval, V, Van Melckebeke, H, Blackledge, M, Amoroso, A, Joris, B, Simorre, J.-P. | | Deposit date: | 2007-03-20 | | Release date: | 2007-06-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Conformational and thermodynamic changes of the repressor/DNA operator complex upon monomerization shed new light on regulation mechanisms of bacterial resistance against beta-lactam antibiotics.
Nucleic Acids Res., 35, 2007
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1P6R
 | | Solution structure of the DNA binding domain of the repressor BlaI. | | Descriptor: | Penicillinase repressor | | Authors: | Melckebeke, H.V, Vreuls, C, Gans, P, Llabres, G, Filee, P, Joris, B, Simorre, J.P. | | Deposit date: | 2003-04-30 | | Release date: | 2003-12-09 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structural study of BlaI: implications for the repression of genes involved in beta-lactam antibiotic resistance.
J.Mol.Biol., 333, 2003
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1RLQ
 | | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | | Descriptor: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND RLP2 (RALPPLPRY) | | Authors: | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | | Deposit date: | 1994-10-10 | | Release date: | 1995-02-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions.
Science, 266, 1994
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1I5V
 | | SOLUTION STRUCTURE OF 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL INTERCALATED IN THE DNA DUPLEX D(CGATCG)2 | | Descriptor: | 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL, 5'-D(*CP*GP*AP*TP*CP*G)-3' | | Authors: | Favier, A, Blackledge, M, Simorre, J.P, Marion, D, Debousy, J.C. | | Deposit date: | 2001-03-01 | | Release date: | 2001-03-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of 2-(pyrido[1,2-e]purin-4-yl)amino-ethanol intercalated in the DNA duplex d(CGATCG)2.
Biochemistry, 40, 2001
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1FS8
 | | CYTOCHROME C NITRITE REDUCTASE FROM WOLINELLA SUCCINOGENES-SULFATE COMPLEX | | Descriptor: | ACETATE ION, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ... | | Authors: | Einsle, O, Stach, P, Messerschmidt, A, Simon, J, Kroeger, A, Huber, R, Kroneck, P.M.H. | | Deposit date: | 2000-09-08 | | Release date: | 2001-01-17 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cytochrome c nitrite reductase from Wolinella succinogenes. Structure at 1.6 A resolution, inhibitor binding, and heme-packing motifs.
J.Biol.Chem., 275, 2000
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1FS7
 | | CYTOCHROME C NITRITE REDUCTASE FROM WOLINELLA SUCCINOGENES | | Descriptor: | ACETATE ION, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ... | | Authors: | Einsle, O, Stach, P, Messerschmidt, A, Simon, J, Kroeger, A, Huber, R, Kroneck, P.M.H. | | Deposit date: | 2000-09-08 | | Release date: | 2001-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cytochrome c nitrite reductase from Wolinella succinogenes. Structure at 1.6 A resolution, inhibitor binding, and heme-packing motifs.
J.Biol.Chem., 275, 2000
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1FS9
 | | CYTOCHROME C NITRITE REDUCTASE FROM WOLINELLA SUCCINOGENES-AZIDE COMPLEX | | Descriptor: | AZIDE ION, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ... | | Authors: | Einsle, O, Stach, P, Messerschmidt, A, Simon, J, Kroeger, A, Huber, R, Kroneck, P.M.H. | | Deposit date: | 2000-09-08 | | Release date: | 2001-01-17 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cytochrome c nitrite reductase from Wolinella succinogenes. Structure at 1.6 A resolution, inhibitor binding, and heme-packing motifs.
J.Biol.Chem., 275, 2000
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2UWJ
 | | Structure of the heterotrimeric complex which regulates type III secretion needle formation | | Descriptor: | NICKEL (II) ION, TYPE III EXPORT PROTEIN PSCE, TYPE III EXPORT PROTEIN PSCF, ... | | Authors: | Quinaud, M, Ple, S, Job, V, Contreras-Martel, C, Simorre, J.P, Attree, I, Dessen, A. | | Deposit date: | 2007-03-22 | | Release date: | 2007-05-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the heterotrimeric complex that regulates type III secretion needle formation.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
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1GH1
 | | NMR STRUCTURES OF WHEAT NONSPECIFIC LIPID TRANSFER PROTEIN | | Descriptor: | NONSPECIFIC LIPID TRANSFER PROTEIN | | Authors: | Gincel, E, Simorre, J.P, Caille, A, Marion, D, Ptak, M, Vovelle, F. | | Deposit date: | 2000-10-29 | | Release date: | 2000-11-22 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure in solution of a wheat lipid-transfer protein from multidimensional 1H-NMR data. A new folding for lipid carriers.
Eur.J.Biochem., 226, 1994
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1RLP
 | | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | | Descriptor: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND RLP2 (RALPPLPRY) | | Authors: | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | | Deposit date: | 1994-10-10 | | Release date: | 1995-02-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions.
Science, 266, 1994
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1PRM
 | | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | | Descriptor: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND PLR1 (AFAPPLPRR) | | Authors: | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | | Deposit date: | 1994-10-10 | | Release date: | 1995-02-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions.
Science, 266, 1994
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1PRL
 | | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | | Descriptor: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND PLR1 (AFAPPLPRR) | | Authors: | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | | Deposit date: | 1994-10-10 | | Release date: | 1995-02-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions.
Science, 266, 1994
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1S62
 | | Solution structure of the Escherichia coli TolA C-terminal domain | | Descriptor: | TolA protein | | Authors: | Deprez, C, Blanchard, L, Simorre, J.-P, Gavioli, M, Guerlesquin, F, Lazdunski, C, Lloubes, R, Marion, D. | | Deposit date: | 2004-01-22 | | Release date: | 2005-02-15 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the E.coli TolA C-terminal domain reveals conformational changes upon binding to the phage g3p N-terminal domain.
J.Mol.Biol., 346, 2005
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2M32
 | | Alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide | | Descriptor: | GLOGEN peptide, Integrin alpha-1, MAGNESIUM ION | | Authors: | Chin, Y, Headey, S, Mohanty, B, McEwan, P, Swarbrick, J, Mulhern, T, Emsley, J, Simpson, J, Scanlon, M. | | Deposit date: | 2013-01-07 | | Release date: | 2013-11-06 | | Last modified: | 2014-02-12 | | Method: | SOLUTION NMR | | Cite: | The Structure of Integrin alpha 1I Domain in Complex with a Collagen-mimetic Peptide.
J.Biol.Chem., 288, 2013
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2MHK
 | | E. coli LpoA N-terminal domain | | Descriptor: | Penicillin-binding protein activator LpoA | | Authors: | Jean, N.L, Bougault, C, Lodge, A, Derouaux, A, Callens, G, Egan, A, Lewis, R.J, Vollmer, W, Simorre, J. | | Deposit date: | 2013-11-26 | | Release date: | 2014-06-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Elongated Structure of the Outer-Membrane Activator of Peptidoglycan Synthesis LpoA: Implications for PBP1A Stimulation.
Structure, 22, 2014
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2JX0
 | | The paxillin-binding domain (PBD) of G Protein Coupled Receptor (GPCR)-kinase (GRK) interacting protein 1 (GIT1) | | Descriptor: | ARF GTPase-activating protein GIT1 | | Authors: | Zhang, Z, Guibao, C.D, Simmerman, J.A, Zheng, J. | | Deposit date: | 2007-11-01 | | Release date: | 2008-04-29 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | GIT1 paxillin-binding domain is a four-helix bundle, and it binds to both paxillin LD2 and LD4 motifs.
J.Biol.Chem., 283, 2008
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